UCSF

ZINC25406539

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 4.61 -19.38 3 5 0 89 424.594 7
Hi High (pH 8-9.5) 3.29 5.28 -47.94 2 5 -1 87 423.586 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )